3-(3-chlorophenyl)sulfonyl-N-(3-methylbutyl)propanamide

C14H20ClNO3S — CID 110415612

IUPAC3-(3-chlorophenyl)sulfonyl-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO3S/c1-11(2)6-8-16-14(17)7-9-20(18,19)13-5-3-4-12(15)10-13/h3-5,10-11H,6-9H2,1-2H3,(H,16,17)
InChIKeyJPYLYDVQYSJITI-UHFFFAOYSA-N
MW317.84 g/mol
LogP2.67
Rot. Bonds7

About 3-(3-chlorophenyl)sulfonyl-N-(3-methylbutyl)propanamide

3-(3-chlorophenyl)sulfonyl-N-(3-methylbutyl)propanamide (PubChem CID 110415612) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfonyl-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfonyl-N-(3-methylbutyl)propanamide
PubChem CID110415612
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name3-(3-chlorophenyl)sulfonyl-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO3S/c1-11(2)6-8-16-14(17)7-9-20(18,19)13-5-3-4-12(15)10-13/h3-5,10-11H,6-9H2,1-2H3,(H,16,17)
InChIKeyJPYLYDVQYSJITI-UHFFFAOYSA-N
XLogP2.67
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidobutyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110609806
3-(3-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 110411335
3-(4-tert-butylphenyl)sulfonyl-N-(3-methylbutyl)propanamide
CID 110415591
3-(benzenesulfonyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 32816816
N-(3-chlorophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110420604
N-(3-chlorophenyl)sulfonyl-4-methylpentanamide
CID 47233055
3-(3-chlorophenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110620250
N-(4-acetamidophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110423914
N-(2-anilino-2-oxoethyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110624241
[2-(3-methylbutylamino)-2-oxoethyl] (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate
CID 8848963
N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 40712158
3-(benzenesulfonyl)-N-(3-hydroxypentyl)propanamide
CID 115703740

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfonyl-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-(3-chlorophenyl)sulfonyl-N-(3-methylbutyl)propanamide (CID 110415612) is 3-(3-chlorophenyl)sulfonyl-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)sulfonyl-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-(3-chlorophenyl)sulfonyl-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)CCS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)sulfonyl-N-(3-methylbutyl)propanamide?
The InChIKey is JPYLYDVQYSJITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-11(2)6-8-16-14(17)7-9-20(18,19)13-5-3-4-12(15)10-13/h3-5,10-11H,6-9H2,1-2H3,(H,16,17).
What are the key properties of 3-(3-chlorophenyl)sulfonyl-N-(3-methylbutyl)propanamide?
3-(3-chlorophenyl)sulfonyl-N-(3-methylbutyl)propanamide has a molecular weight of 317.84 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfonyl-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 110415612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).